element(s):
['Ar']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.7835']
model name:
LJ_Truncated_Nguyen_2005_Ar__MO_398194508715_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ar']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[5.7835, 0, 0], [0, 5.7835, 0], [0, 0, 5.7835]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:12:48       -0.280081         0.085774
BFGS:    1 16:12:48       -0.280396         0.085758
BFGS:    2 16:12:48       -0.293172         0.084323
BFGS:    3 16:12:48       -0.305601         0.081042
BFGS:    4 16:12:48       -0.317850         0.075609
BFGS:    5 16:12:48       -0.328578         0.066836
BFGS:    6 16:12:48       -0.337701         0.054057
BFGS:    7 16:12:48       -0.344665         0.036207
BFGS:    8 16:12:48       -0.348352         0.011718
BFGS:    9 16:12:48       -0.349161         0.002578
BFGS:   10 16:12:48       -0.349176         0.000197
BFGS:   11 16:12:48       -0.349176         0.000002
BFGS:   12 16:12:48       -0.349176         0.000000
Minimization converged after 12 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.1314132911954323e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ar', 'Ar', 'Ar', 'Ar']
basis =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]]
cellpar =  Cell([[5.246869712954917, 1.1373703484422417e-33, -3.601553497379908e-33], [-1.027600734627305e-32, 5.246869712954916, 8.342172132793801e-17], [1.0125683231874359e-32, 8.342172132793805e-17, 5.246869712954916]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-5.13141329e-11 -5.13141329e-11 -5.13141329e-11 -3.16258852e-27
  1.74896023e-36  2.07214970e-52]
energy per atom =  -0.08729403908179974
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0